Ligand: AQ6

Total number of chains: 3
Active chains: 1
Total number of genes: 2
Spatial label Dihedral label Number of Chains Percent Representative
DFGin ABAminus 1 33.3% 6IQNB
DFGin BLAminus 1 33.3% 9BRGA
DFGin None 1 33.3% 6IQNA
All chains
Pymol session (all) Pymol script (all)
Representatives
Pymol session (repr) Pymol script (repr)
All chains - renumbered by
Uniprot PDB Alignment
Hover over column headers for tooltip help.

Group Gene SwissprotID PDB UniprotID First_obs_res Last_obs_res Length_Unp Ligand Ligand_type Activity_label Spatial_label Phe_Glu4_dis Phe_Lys_dis Dihedral_label XDFG
φ,ψ		 DFG-Asp
φ,ψ		 DFG-Phe
φ,ψ		 DFG-Phe
χ1,χ2		 DFG-Gly
φ,ψ		 ChelixSaltbr_label Chelix_label Lys_Glu_dis Saltbr_label LysNZ_GluOE_dis HRD_label His φ,ψ Arg φ,ψ SNC_label SNCpymol_label ActLoop_label ActLoopNT_label DFG6_XHRD_dis ActLoopCT_label APEtype APEdihe_label APEdist_label APE10_dihe_label APE10 φ,ψ APE9_dihe_label APE9 φ,ψ APE8_dihe_label APE8 φ,ψ APE8_rotamer_label APE8 χ1 APE67_label APE6 φ,ψ APE7 φ,ψ APE12_dist_label APE12_DFG4_dis APE11_dist_label APE11_DFG4_dis APE10_dist_label APE10_DFG4_dis APE9_dist_label APE9_Arg_dis Chain_mut Chain_phos Modified_aa Method Resolution Rvalue FreeRvalue Chain_id ChainLen Ordered_residues DomainBreak ActLoopLength ActLoopResolvedResidues ActLoopDisorderedResidues Kinase_domains_Unp N_Kinase_domains_Unp pdb Kincore_name hmm Evalue Score hmmbeg hmmend hmmlen XDFGnum DFGnum PHEnum DFG4num DFG6num LYSnum GLUnum GLU4num XHRDnum ARGnum HRDnum HRDaspnum aFaspnum APEnum APE6num APE7num APE8num APE9num APE10num APE11num APE12num Hinge1num Protein_name
AGC GRK5 GRK5_HUMAN 9BRGA P34947 25 542 590.0 A1AQ6:601 Type1 Active DFGin 5.8882 12.7443 BLAminus -127.15, 171.02 61.76, 75.85 -94.14, 20.1 287.82, 78.85 -68.02, -19.4 in-in in 9.0433 Saltbr-in 2.3465 HRD-in -85.19, -53.81 70.34, 12.77 in-in-in SNCiii in-in ActLoopNT-in 3.1046 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -131.02, 160.56 APE9-dihe-na 125.86, -158.84 APE8-dihe-in -113.45, 141.13 APE8-rot-in 318.14 APE67-dihe-inflip 91.69, -20.41 -53.6, 133.88 APE12-dist-in 9.7697 APE11-dist-in 12.0735 APE10-dist-in 6.2186 APE9-dist-in 4.0834 D311N None None XRAY 2.7 0.242 0.277 A 598.0 503.0 0 27 27 0 [[186, 448]] 1.0 9brg AGC_GRK5_HUMAN AGC 7.6e-83 283.7 1.0 260.0 260.0 328 329 330 332 334 215 234 238 308 310 309 311.0 367 355 350 349 348 347 346 345 344 264 G protein-coupled receptor kinase 5
TYR NTRK1 NTRK1_HUMAN 6IQNB P04629 502 788 796.0 AQ6:60801 Type1 Inactive DFGin 6.8017 15.0038 ABAminus -105.93, -21.08 -155.49, 154.25 -121.75, -62.07 303.57, 79.9 179.93, 999.0 out-out out 10.2417 Saltbr-out 7.062 HRD-in -80.44, -51.29 82.75, -12.37 out-none-none SNConn none-none ActLoopNT-none 999.0 ActLoopCT-none TYR APEdihe_nniai APEdist_aaai APE10-dihe-none 999.0, 999.0 APE9-dihe-none 999.0, -59.38 APE8-dihe-in -85.76, 64.75 APE8-rot-na 31.54 APE67-dihe-in -69.39, -18.06 -57.29, -35.22 APE12-dist-na 999.0 APE11-dist-na 999.0 APE10-dist-na 999.0 APE9-dist-in 7.6373 None None None XRAY 2.54 0.228 0.287 B 296.0 257.0 30 30 12 18 [[510, 783]] 1.0 6iqn TYR_NTRK1_HUMAN TYR 1.7e-100 341.5 2.0 260.0 259.0 667 668 669 671 673 544 560 564 647 649 648 650.0 709 697 692 691 690 689 688 687 686 590 High affinity nerve growth factor receptor
TYR NTRK1 NTRK1_HUMAN 6IQNA P04629 502 790 796.0 AQ6:60801 Type1 Inactive DFGin 7.14 15.1103 None -103.61, -29.7 -117.2, -70.49 62.55, 999.0 316.84, 95.5 999.0, 999.0 in-out in 9.7917 Saltbr-out 4.8101 HRD-in -72.08, -53.46 85.54, -25.89 out-none-in SNConi none-in ActLoopNT-none 999.0 ActLoopCT-in TYR APEdihe_iiiai APEdist_aaai APE10-dihe-in -112.52, 109.29 APE9-dihe-in -102.41, 128.27 APE8-dihe-in -77.64, 69.03 APE8-rot-na 26.82 APE67-dihe-in -69.77, -22.47 -58.81, -29.81 APE12-dist-na 999.0 APE11-dist-na 999.0 APE10-dist-na 999.0 APE9-dist-in 7.3302 None None None XRAY 2.54 0.228 0.287 A 296.0 271.0 18 30 18 12 [[510, 783]] 1.0 6iqn TYR_NTRK1_HUMAN TYR 1.7e-100 341.5 2.0 260.0 259.0 667 668 669 671 673 544 560 564 647 649 648 650.0 709 697 692 691 690 689 688 687 686 590 High affinity nerve growth factor receptor

Ligand: AQ6

Total number of chains: 3
Active chains: 1
Total number of genes: 2
Spatial label Dihedral label Number of Chains Percent Representative
DFGin ABAminus 1 33.3% 6IQNB
DFGin BLAminus 1 33.3% 9BRGA
DFGin None 1 33.3% 6IQNA
All chains
Pymol session (all) Pymol script (all)
Representatives
Pymol session (repr) Pymol script (repr)
All chains - renumbered by
Uniprot PDB Alignment
Hover over column headers for tooltip help.

Group Gene SwissprotID PDB UniprotID First_obs_res Last_obs_res Length_Unp Ligand Ligand_type Activity_label Spatial_label Phe_Glu4_dis Phe_Lys_dis Dihedral_label XDFG
φ,ψ		 DFG-Asp
φ,ψ		 DFG-Phe
φ,ψ		 DFG-Phe
χ1,χ2		 DFG-Gly
φ,ψ		 ChelixSaltbr_label Chelix_label Lys_Glu_dis Saltbr_label LysNZ_GluOE_dis HRD_label His φ,ψ Arg φ,ψ SNC_label SNCpymol_label ActLoop_label ActLoopNT_label DFG6_XHRD_dis ActLoopCT_label APEtype APEdihe_label APEdist_label APE10_dihe_label APE10 φ,ψ APE9_dihe_label APE9 φ,ψ APE8_dihe_label APE8 φ,ψ APE8_rotamer_label APE8 χ1 APE67_label APE6 φ,ψ APE7 φ,ψ APE12_dist_label APE12_DFG4_dis APE11_dist_label APE11_DFG4_dis APE10_dist_label APE10_DFG4_dis APE9_dist_label APE9_Arg_dis Chain_mut Chain_phos Modified_aa Method Resolution Rvalue FreeRvalue Chain_id ChainLen Ordered_residues DomainBreak ActLoopLength ActLoopResolvedResidues ActLoopDisorderedResidues Kinase_domains_Unp N_Kinase_domains_Unp pdb Species Kincore_name hmm Evalue Score hmmbeg hmmend hmmlen XDFGnum DFGnum PHEnum DFG4num DFG6num LYSnum GLUnum GLU4num XHRDnum ARGnum HRDnum HRDaspnum aFaspnum APEnum APE6num APE7num APE8num APE9num APE10num APE11num APE12num Hinge1num Protein_name
AGC GRK5 GRK5_HUMAN 9BRGA P34947 25 542 590.0 A1AQ6:601 Type1 Active DFGin 5.8882 12.7443 BLAminus -127.15, 171.02 61.76, 75.85 -94.14, 20.1 287.82, 78.85 -68.02, -19.4 in-in in 9.0433 Saltbr-in 2.3465 HRD-in -85.19, -53.81 70.34, 12.77 in-in-in SNCiii in-in ActLoopNT-in 3.1046 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -131.02, 160.56 APE9-dihe-na 125.86, -158.84 APE8-dihe-in -113.45, 141.13 APE8-rot-in 318.14 APE67-dihe-inflip 91.69, -20.41 -53.6, 133.88 APE12-dist-in 9.7697 APE11-dist-in 12.0735 APE10-dist-in 6.2186 APE9-dist-in 4.0834 D311N None None XRAY 2.7 0.242 0.277 A 598.0 503.0 0 27 27 0 [[186, 448]] 1.0 9brg Homo sapiens AGC_GRK5_HUMAN AGC 7.6e-83 283.7 1.0 260.0 260.0 328 329 330 332 334 215 234 238 308 310 309 311.0 367 355 350 349 348 347 346 345 344 264 G protein-coupled receptor kinase 5
TYR NTRK1 NTRK1_HUMAN 6IQNB P04629 502 788 796.0 AQ6:60801 Type1 Inactive DFGin 6.8017 15.0038 ABAminus -105.93, -21.08 -155.49, 154.25 -121.75, -62.07 303.57, 79.9 179.93, 999.0 out-out out 10.2417 Saltbr-out 7.062 HRD-in -80.44, -51.29 82.75, -12.37 out-none-none SNConn none-none ActLoopNT-none 999.0 ActLoopCT-none TYR APEdihe_nniai APEdist_aaai APE10-dihe-none 999.0, 999.0 APE9-dihe-none 999.0, -59.38 APE8-dihe-in -85.76, 64.75 APE8-rot-na 31.54 APE67-dihe-in -69.39, -18.06 -57.29, -35.22 APE12-dist-na 999.0 APE11-dist-na 999.0 APE10-dist-na 999.0 APE9-dist-in 7.6373 None None None XRAY 2.54 0.228 0.287 B 296.0 257.0 30 30 12 18 [[510, 783]] 1.0 6iqn Homo sapiens TYR_NTRK1_HUMAN TYR 1.7e-100 341.5 2.0 260.0 259.0 667 668 669 671 673 544 560 564 647 649 648 650.0 709 697 692 691 690 689 688 687 686 590 High affinity nerve growth factor receptor
TYR NTRK1 NTRK1_HUMAN 6IQNA P04629 502 790 796.0 AQ6:60801 Type1 Inactive DFGin 7.14 15.1103 None -103.61, -29.7 -117.2, -70.49 62.55, 999.0 316.84, 95.5 999.0, 999.0 in-out in 9.7917 Saltbr-out 4.8101 HRD-in -72.08, -53.46 85.54, -25.89 out-none-in SNConi none-in ActLoopNT-none 999.0 ActLoopCT-in TYR APEdihe_iiiai APEdist_aaai APE10-dihe-in -112.52, 109.29 APE9-dihe-in -102.41, 128.27 APE8-dihe-in -77.64, 69.03 APE8-rot-na 26.82 APE67-dihe-in -69.77, -22.47 -58.81, -29.81 APE12-dist-na 999.0 APE11-dist-na 999.0 APE10-dist-na 999.0 APE9-dist-in 7.3302 None None None XRAY 2.54 0.228 0.287 A 296.0 271.0 18 30 18 12 [[510, 783]] 1.0 6iqn Homo sapiens TYR_NTRK1_HUMAN TYR 1.7e-100 341.5 2.0 260.0 259.0 667 668 669 671 673 544 560 564 647 649 648 650.0 709 697 692 691 690 689 688 687 686 590 High affinity nerve growth factor receptor

Ligand: AQ6

Total number of chains: 0
Active chains: 0
Total number of genes: 0
Spatial label Dihedral label Number of Chains Percent Representative
All chains
Pymol session (all) Pymol script (all)
Representatives
Pymol session (repr) Pymol script (repr)
All chains - renumbered by
Uniprot PDB Alignment
Hover over column headers for tooltip help.

Group Gene SwissprotID PDB UniprotID First_obs_res Last_obs_res Length_Unp Ligand Ligand_type Activity_label Spatial_label Phe_Glu4_dis Phe_Lys_dis Dihedral_label XDFG
φ,ψ		 DFG-Asp
φ,ψ		 DFG-Phe
φ,ψ		 DFG-Phe
χ1,χ2		 DFG-Gly
φ,ψ		 ChelixSaltbr_label Chelix_label Lys_Glu_dis Saltbr_label LysNZ_GluOE_dis HRD_label His φ,ψ Arg φ,ψ SNC_label SNCpymol_label ActLoop_label ActLoopNT_label DFG6_XHRD_dis ActLoopCT_label APEtype APEdihe_label APEdist_label APE10_dihe_label APE10 φ,ψ APE9_dihe_label APE9 φ,ψ APE8_dihe_label APE8 φ,ψ APE8_rotamer_label APE8 χ1 APE67_label APE6 φ,ψ APE7 φ,ψ APE12_dist_label APE12_DFG4_dis APE11_dist_label APE11_DFG4_dis APE10_dist_label APE10_DFG4_dis APE9_dist_label APE9_Arg_dis Chain_mut Chain_phos Modified_aa Method Resolution Rvalue FreeRvalue Chain_id ChainLen Ordered_residues DomainBreak ActLoopLength ActLoopResolvedResidues ActLoopDisorderedResidues Kinase_domains_Unp N_Kinase_domains_Unp pdb Species Kincore_name hmm Evalue Score hmmbeg hmmend hmmlen XDFGnum DFGnum PHEnum DFG4num DFG6num LYSnum GLUnum GLU4num XHRDnum ARGnum HRDnum HRDaspnum aFaspnum APEnum APE6num APE7num APE8num APE9num APE10num APE11num APE12num Hinge1num Protein_name